Re: [ccp4bb] setting occupancy for disordered water

[Herman . Schreuder]

I would use in coot: calculate - model/fit/refine - add alt conf. This
should generate a correctly defined alternative water.
 
Good luck!
Herman


________________________________

        From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On
Behalf Of arka chakraborty
        Sent: Wednesday, March 07, 2012 2:21 PM
        To: CCP4BB@JISCMAIL.AC.UK
        Subject: [ccp4bb] setting occupancy for disordered water
        
        
        Hi all,
        
        I am having a structure where there is a disordered water .I
have fixed one water into the density, yet there is a positive density
about 1.6 ang away. I want to put in another water and attribute 0.50
occupancy to each of the the waters while attributing them to  one water
in reality. I would like to know how to modify the pdb so that
phenix.refine accepts it.
        
        Thanks in advance,
        
        Regards,
        
        ARKO 
        
        -- 
        
        
        ARKA CHAKRABORTY
        CAS in Crystallography and Biophysics
        University of Madras
        Chennai,India